T808-2551 Screening compound: 2-cyclohexanecarbonyl-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane

T808-2551 Screening compound: 2-cyclohexanecarbonyl-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane
T808-2551 Screening compound: 2-cyclohexanecarbonyl-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound T808-2551
2-cyclohexanecarbonyl-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

T808-2551

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

2-cyclohexanecarbonyl-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane

IUPAC name

2-cyclohexanecarbonyl-4-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane

SMILES

O=C(C1CCCCC1)N(C1)CC2(CCOCC2)C1c1nc(-c2cnccc2)no1

InChI

InChI=1S/C22H28N4O3/c27-21(16-5-2-1-3-6-16)26-14-18(22(15-26)8-11-28-12-9-22)20-24-19(25-29-20)17-7-4-10-23-13-17/h4,7,10,13,16,18H,1-3,5-6,8-9,11-12,14-15H2/t18-/m0/s1

InChI Key

XHOZIMDNWCRGNA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27623649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.065

Distribution Coefficient, logD

2.427

Water Solubility, LogSw

-2.81

Polar Surface Area

66.064

Acid Dissociation Constant (pKa)

23.08

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

T808-2551 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T808-2551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T808-2551?
Check Price and Availability of T808-2551, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T808-2551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T808-2551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T808-2551
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of T808-2551 available by request